CID 42608257

Viscida-4,11(18),14-triene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@H]1CC[C@H]([C@]12CCC(=CC2)C)C(=C)CCC=C(C)C
InChI
InChI=1S/C20H32/c1-15(2)7-6-8-17(4)19-10-9-18(5)20(19)13-11-16(3)12-14-20/h7,11,18-19H,4,6,8-10,12-14H2,1-3,5H3/t18-,19+,20-/m1/s1
InChIKey
REUUHHGDDCLKJR-HSALFYBXSA-N
Compound name
(1R,4S,5S)-1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 172.2
[M+Na]+ 295.23962 175.8
[M-H]- 271.24312 176.5
[M+NH4]+ 290.28422 192.8
[M+K]+ 311.21356 171.0
[M+H-H2O]+ 255.24766 166.5
[M+HCOO]- 317.24860 187.9
[M+CH3COO]- 331.26425 202.9
[M+Na-2H]- 293.22507 168.4
[M]+ 272.24985 167.4
[M]- 272.25095 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.